tert-butyl N-(2-oxocyclopentyl)carbamate

HCID 357962

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Basic information

CAS: 477585-30-1
Standard SMILES: CC(C)(C)OC(=O)NC1CCCC1=O
InChIKey: UXSQXOIYRVCHBS-UHFFFAOYSA-N
Molecular formula: C10H17NO3
Average molar mass: 199.25 g/mol
Monoisotopic mass: 199.1208434

Names & identifiers

Preferred name: tert-butyl N-(2-oxocyclopentyl)carbamate
IUPAC: tert-butyl N-(2-oxocyclopentyl)carbamate
English name: Carbamic acid, (2-oxocyclopentyl)-, 1,1-dimethylethyl ester (9CI)
Molecular formula: C10H17NO3
Molecular weight: 199.25

Names & synonyms

tert-butyl N-(2-oxocyclopentyl)carbamate477585-30-1DTXSID20326830RefChem:383800DTXCID10277943819-000-4tert-Butyl (2-oxocyclopentyl)carbamatetert-Butyl 2-oxocyclopentylcarbamateMFCD09751874Carbamic acid, (2-oxocyclopentyl)-, 1,1-dimethylethyl ester (9CI)SCHEMBL7645802-((tert-Butoxycarbonyl)amino)cyclopentanone

Show more names

2-((tertbutyloxycarbonyl)amino)cyclopentanoneTert-Butyl N-(2-Oxocyclopentyl)Carbamate(WX625155)Carbamic acid, N-(2-oxocyclopentyl)-, 1,1-dimethylethyl ester

1-(Boc-amino)-2-oxocyclopentaneNSC617637CS-0047374(S)-tert-Butyl (2-oxocyclopentyl)carbamateFT-07186472-Methyl-2-propanyl (2-oxocyclopentyl)carbamate2-(Boc-amino)cyclopentanone(2-Oxo-cyclopentyl)-carbamic acid tert-butyl ester

Database identifiers

CAS: 477585-30-1
PubChem CID: 357962
DTXSID: DTXSID20326830
ChEMBL: CHEMBL1985782
EC Number: 819-000-4

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 242

Physicochemical properties

Boiling point: 319.2 · 319.2±31.0 °C(Predicted)
Density: 1.07 · 1.07±0.1 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 11.3 · 11.30±0.20(Predicted)
Appearance: Light brown to brown Solid
InChI: InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(7)12/h7H,4-6H2,1-3H3,(H,11,13)
InChIKey: UXSQXOIYRVCHBS-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1CCCC1=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362